6,11-Dihydroxy-2,7,9-dodecatrienoic acid; (2E,6RS,7E,9E,11RS)-form, 11-Ketone, 2-hydroxy-2-methylpropylamide
AlkaPlorer ID: AK296183
Synonym: Bungeanumamide E, ZP-amide A
IUPAC Name: (2E,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienamide
Structure
SMILES: CC(=O)/C=C/C=C/C(O)CC/C=C/C(O)=NCC(C)(C)O
InChI: InChI=1S/C16H25NO4/c1-13(18)8-4-5-9-14(19)10-6-7-11-15(20)17-12-16(2,3)21/h4-5,7-9,11,14,19,21H,6,10,12H2,1-3H3,(H,17,20)/b8-4+,9-5+,11-7+
InChIKey: VCRNTFWOWYDPLY-LPPZWSRQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum bungeanum | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Zanthoxylum piperitum | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 295.379
TPSA？: 90.12
MolLogP？: 2.1125000000000003
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Peroxisome proliferator-activated receptor | EC50 | 19100.0 | nM | 10.1016/j.bmcl.2015.12.015 |
| Rattus norvegicus | PC-12 | Activity | nan | None | 10.1016/j.bmcl.2015.12.015 |
| None | ADMET | Activity | 75.0 | % | 10.1021/np300696g |
| None | ADMET | Activity | nan | None | 10.1016/j.bmcl.2015.12.015 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1016/j.bmcl.2015.12.015 |
| None | NON-PROTEIN TARGET | GI | 52.0 | % | 10.1021/np300696g |
| None | NON-PROTEIN TARGET | Inhibition | 52.0 | % | 10.1016/j.bmcl.2015.12.015 |
| None | No relevant target | Activity | nan | None | 10.1016/j.bmcl.2015.12.015 |